CID 15019795

4-iodo-2-methoxypyridine

Structural Information

Molecular Formula
C6H6INO
SMILES
COC1=NC=CC(=C1)I
InChI
InChI=1S/C6H6INO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
InChIKey
JWIBTPMTSDSVQR-UHFFFAOYSA-N
Compound name
4-iodo-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

234.94942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95670 130.2
[M+Na]+ 257.93864 136.4
[M+NH4]+ 252.98324 134.8
[M+K]+ 273.91258 133.3
[M-H]- 233.94214 126.0
[M+Na-2H]- 255.92409 125.6
[M]+ 234.94887 128.8
[M]- 234.94997 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe